[2-(4-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

Systemtic Name: [2-(4-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone Openeye Name: [2-[(4-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone CAS Name: [2-[(4-bromo-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-1-piperazinyl]-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: [2-(4-bromonaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone Traditional Name: [2-[(4-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazino]-[2-(trifluoromethyl)phenyl]methanone Formula: C27H21BrF3N3O3S MolecularWeight: 604.43815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC=NC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C(=C3)Br)C(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(C(CN1C2=CC=NC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C(=C3)Br)C(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C27H21BrF3N3O3S/c28-24-16-20(15-18-5-1-2-6-21(18)24)38(36,37)25-17-33(19-9-11-32-12-10-19)13-14-34(25)26(35)22-7-3-4-8-23(22)27(29,30)31/h1-12,15-16,25H,13-14,17H2